(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl-2,2,3,3,4,5,5,6,6-d9)methanol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl-2,2,3,3,4,5,5,6,6-d9)methanol
• 英文别名: (2,3-Dimethoxyphenyl)-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol；(2,3-dimethoxyphenyl)-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
• 化学式: C₂₂H₂₈FNO₃
• 分子量: 382.396
• InChiKey: HXTGXYRHXAGCFP-JIUFRRTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  41.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl-2,2,3,3,4,5,5,6,6-d9)methanol 在 二乙胺 作用下， 以 乙醇 、 二氧化碳 为溶剂， 以130 mg的产率得到(R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl-2,2,3,3,4,5,5,6,6-d₉)methanol
  参考文献：
  名称：

  WO2020132461A5

  摘要：

  公开号：

  WO2020132461A5
• 作为产物：
  描述：

  1-(tert-butoxycarbonyl)piperidine-4-carboxylic-2,2,3,3,4,5,5,6,6-d₉ acid 在 sodium tetrahydroborate 、 正丁基锂 、 氘代甲醇-d 、 碳酸氢钠 、 三乙胺 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.25h， 生成 (2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl-2,2,3,3,4,5,5,6,6-d9)methanol
  参考文献：
  名称：

  WO2020132461A5

  摘要：

  公开号：

  WO2020132461A5

文献信息

• DEUTERATED FORMS AND DERIVATIVES OF VOLINANSERIN
  申请人：Concert Pharmaceuticals Inc.

  公开号：EP3897507A1

  公开（公告）日：2021-10-27
• Deuterated Forms And Derivatives Of Volinanserin
  申请人：Terran Biosciences, Inc.

  公开号：US20220106272A1

  公开（公告）日：2022-04-07

  Deuterated forms of volinanserin according to structural formula (I), and their pharmaceutically acceptable salts, pharmaceutical compositions containing these compounds, and methods of treatment or prevention using these compounds or pharmaceutical compositions are described. The compounds are useful for treating or preventing a disease or condition selected from psychosis, schizophrenia, schizoaffective disorder, Parkinson's disease, Lewy body dementia, sleep disorder (including insomnia), agitation, mood disorder (including depression), thromboembolic disorder, autism, and attention deficit hyperactivity disorder.
• [EN] DEUTERATED FORMS AND DERIVATIVES OF VOLINANSERIN<br/>[FR] FORMES DEUTÉRÉES ET DÉRIVÉS DE VOLINANSÉRINE
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2020132461A1

  公开（公告）日：2020-06-25

  Deuterated forms of volinanserin according to structural formula (I), and their pharmaceutically acceptable salts, pharmaceutical compositions containing these compounds, and methods of treatment or prevention using these compounds or pharmaceutical compositions are described. The compounds are useful for treating or preventing a disease or condition selected from psychosis, schizophrenia, schizoaffective disorder, Parkinson's disease, Lewy body dementia, sleep disorder (including insomnia), agitation, mood disorder (including depression), thromboembolic disorder, autism, and attention deficit hyperactivity disorder.
• WO2020132461A5
  申请人：——

  公开号：WO2020132461A5

  公开（公告）日：2022-10-21